Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CETP | P11597 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.40 |
| ▸ | ITGAL | P20701 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30343196 | 0.85 | MAPT (0.48) | CETPALDH1A1MAPTMAPK1RAB9A | |
| SCHEMBL30343190 | 0.85 | CETP (0.45) | CETPALDH1A1MAPTMAPK1RAB9A | |
| SCHEMBL30343192 | 0.83 | CETP (0.43) | CETPALDH1A1MAPK1RAB9AITGB2 | |
| SCHEMBL30343194 | 0.81 | KMT2A (0.42) | CETPALDH1A1MAPK1RAB9AHDAC3 | |
| SCHEMBL28674555 | 0.81 | RAB9A (0.59) | CETPALDH1A1MAPTNPC1ALOX15 | |
| SCHEMBL14355939 | 0.78 | MAPT (0.44) | CETPALDH1A1MAPTNPC1ALOX15 | |
| SCHEMBL28346162 | 0.73 | CETP (0.54) | CETPALDH1A1MAPTNPC1ALOX15 | |
| SCHEMBL30513841 | 0.71 | HDAC3 (0.46) | CETPMAPTITGB2ICAM1ITGAL | |
| SCHEMBL11218848 | 0.70 | ALDH1A1 (0.63) | CETPALDH1A1MAPTNPC1MAPK1 | |
| SCHEMBL14387674 | 0.68 | ALDH1A1 (0.46) | CNR2ALDH1A1MAPTNPC1ALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113861086-B | Synthesis method of sulfur-containing gamma, gamma-diarylamine butyrylamide compound | 温州大学 | 2023-04-07 | — | — | CN | disclosed |